============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 18 1.000 -32.785 52.623 66.027 -99.200 -91.000 HIS 22 0.900 -39.026 43.392 55.565 -99.200 -91.000 HIS 24 0.900 -35.499 43.316 51.247 -99.200 -91.000 PHE 32 1.000 -31.128 40.701 37.262 -99.200 -91.000 TRP 36 1.040 -28.152 42.801 32.793 -99.200 -91.000 TRP6 36 1.020 -30.420 42.609 32.157 -99.200 -91.000 PHE 39 1.000 -32.190 45.999 36.265 -99.200 -91.000 PHE 40 1.000 -28.959 45.262 40.482 -99.200 -91.000 PHE 71 1.000 -31.719 30.043 45.627 -99.200 -91.000 HIS 90 0.900 -23.138 44.909 64.835 -99.200 -91.000 TRP 98 1.040 -39.989 38.096 48.636 -99.200 -91.000 TRP6 98 1.020 -39.521 38.695 46.383 -99.200 -91.000 PHE 116 1.000 -31.818 26.520 50.580 -99.200 -91.000 PHE 117 1.000 -36.487 27.115 54.333 -99.200 -91.000 TYR 123 0.840 -21.465 23.803 54.814 -99.200 -91.000 PHE 145 1.000 -42.286 25.665 47.410 -99.200 -91.000 HIS 167 0.900 -44.944 39.702 50.868 -99.200 -91.000 PHE 182 1.000 -45.215 30.712 60.716 -99.200 -91.000 HIS 196 0.900 -43.953 43.486 53.864 -99.200 -91.000 TYR 205 0.840 -54.171 40.909 60.434 -99.200 -91.000 TYR 214 0.840 -48.328 34.430 66.104 -99.200 -91.000 HIS 220 0.900 -45.007 47.939 54.015 -99.200 -91.000 TYR 223 0.840 -41.936 50.178 50.739 -99.200 -91.000 TRP 243 1.040 -44.136 60.243 56.478 -99.200 -91.000 TRP6 243 1.020 -43.760 60.546 58.804 -99.200 -91.000 TYR 258 0.840 -51.723 43.855 72.683 -99.200 -91.000 TRP 268 1.040 -34.700 53.088 50.907 -99.200 -91.000 TRP6 268 1.020 -36.935 53.732 50.498 -99.200 -91.000 PHE 270 1.000 -28.725 50.953 50.748 -99.200 -91.000 PHE 272 1.000 -38.017 46.408 44.679 -99.200 -91.000 TYR 275 0.840 -42.928 46.845 41.425 -99.200 -91.000 PHE 293 1.000 -39.681 57.882 56.805 -99.200 -91.000 PHE 301 1.000 -46.175 61.063 63.158 -99.200 -91.000 PHE 323 1.000 -38.234 38.278 65.293 -99.200 -91.000